Max Lübke
9e4aea38e3
fix: set all values less than 10E-14 to zero
2023-01-24 16:10:08 +01:00
Max Lübke
526d61eaa7
use "native" input as rounding without pH/pe calculation
2023-01-24 16:10:08 +01:00
Max Lübke
cd5bbfa9a3
adding different cases of prop types and zero value
2023-01-24 16:10:08 +01:00
Max Lübke
5ef228c27f
refactor: pass work packages as constant reference to DHT functions
2023-01-24 16:10:08 +01:00
Max Lübke
575d881158
build: add option to enable DHT debug infos
2023-01-24 16:10:08 +01:00
Max Lübke
4118fe4ed0
fix: handle negative values in keyelement with significant as signed integer
2023-01-24 16:10:08 +01:00
Max Lübke
14cb03e746
feat: use new rounding function and datatype for keys
2023-01-24 16:10:08 +01:00
Max Lübke
38d6b299a9
refactor: move key and data size calculation to DHT_Wrapper
2023-01-24 16:10:08 +01:00
Max Lübke
f32a3f3342
perf: return SimParams as const
2023-01-24 16:10:08 +01:00
Max Luebke
16eb78ae31
fix: do pre-copy of fields in grid class
...
The idea is to later define chains of module in the input script by
setting an input and output field and the according function to call.
Currently, the code is not ready for such a chain, but the change is
done in advance.
2023-01-23 16:36:54 +01:00
Max Luebke
f53a69f014
refactor: remove comments from code in Grid class
2023-01-23 15:06:27 +01:00
Max Luebke
689c55bf32
refactor: make Grid class a bit more generic
2023-01-23 14:57:26 +01:00
Max Luebke
2e675d8139
fix: setting of inner constant cells
2023-01-06 10:56:05 +01:00
Max Luebke
ded8fbd0ae
BREAKING CHANGE: utilize PhreeqcRM and bring back old DHT bindings
2023-01-06 10:56:01 +01:00
Max Luebke
8d13748545
refactor: rename ChemSim to ChemSeq
...
refactor: introduce new base class BaseChemModule for both sequential
and parallel chemistry module
refactor: iterative loop of simulations in poet application via template
function
This should make the application code more readable.
2023-01-06 10:51:03 +01:00
Max Luebke
aed9cb3395
BREAKING CHANGE: substitute R bindings of Phreeqc by PhreeqcRM
2023-01-06 10:51:03 +01:00
Max Lübke
951aaf06db
perf: delete DHT object after shutdown
2023-01-06 10:51:03 +01:00
Max Luebke
df08e38b9a
fix: missing namespace of phreeqcrm leads to ambiguous macro names
2023-01-06 10:51:02 +01:00
Max Luebke
99d937eaf6
refactor: decouple ChemSim to ChemSimSeq and ChemSimPar
...
refactor: cleanup of header files
2023-01-06 10:51:02 +01:00
Max Luebke
d0307bb48b
fix: replace deprecated calls to MD5 functions
...
perf: keep EVP context in memory during lifetime of DHT_Wrapper
2022-12-01 16:46:58 +01:00
Max Lübke
f78842c6d6
perf: remove RRuntime as there is no need anymore
2022-11-10 16:06:12 +01:00
Max Lübke
d70073724e
refactor: conversion from R into C++ buffer inside worker function
2022-11-10 16:06:11 +01:00
Max Lübke
8f89a5268c
refactor: cleanup of code, renaming of chemsitry module function and some output added to the diffusion module
2022-11-10 16:06:11 +01:00
Max Lübke
8dd2bd192d
feat: enable parallelization with tug
2022-11-10 16:06:11 +01:00
Max Lübke
ba80f0be20
fix: differentiate between 1D and 2D boundary condition
2022-11-10 16:06:11 +01:00
Max Lübke
4e248e4564
fix: multiplication with 0 when starting 1D simulation
2022-11-10 16:06:11 +01:00
Max Lübke
b5813d0530
feat: allow more than one iteration in sequential mode
...
fix: enable timesteps to simulate
2022-11-10 16:06:11 +01:00
Max Lübke
3636070c06
fix: use resize instead of reserve
2022-11-10 16:06:11 +01:00
Max Lübke
28b59ff6c3
BREAKING CHANGE: integrate 'tug' as diffusion module
...
It is now possible to run a simulation for one iteration in sequential
mode without the use of Rmufits.
According scripts are provided.
refactor: TransportSim renamed to DiffusionModule
refactor: parsing of R input script is now done outside of simulation
modules (except ChemSim)
2022-11-10 16:06:08 +01:00
Max Lübke
d6cd0ac3a8
build: Improve R library handling in CMake
2022-11-10 15:38:38 +01:00
Max Lübke
67a89cde94
build: move headers to include
...
build: instead of several libraries, build one lib and link to poet
application
2022-10-05 12:16:53 +02:00
Max Lübke
91de8131be
deleted old makefile
2021-02-26 19:23:12 +01:00
Max Lübke
8b9450d3c0
Prepare project to transfer to svn + set poet version with help of
...
git/textfiles
2021-02-19 17:12:53 +01:00
Max Lübke
f7d94218c6
new file describing output of POET + added target doxygen to CMake
2021-02-17 16:26:14 +01:00
Max Lübke
7fc3002b5d
change dht_collisions to dht_evictions + use option instead of set
2021-02-17 16:24:57 +01:00
Max Lübke
cb7a507104
added CMake install process + rearrange data dir
2021-02-09 20:02:03 +01:00
Max Lübke
9aafe8ebee
print version of POET at program startup
2021-02-09 18:57:57 +01:00
Max Lübke
70c457f519
Added license header to all files
2021-02-09 17:58:23 +01:00
Max Lübke
49ea231687
rename kin.cpp to poet.cpp + cleanup
2021-02-09 17:31:07 +01:00
Max Lübke
89b73c7cd3
added BSD License Header
2021-02-08 19:51:20 +01:00
Max Lübke
51204cb5be
New Readme + moved R libraries to another folder
2021-02-08 13:50:19 +01:00
Max Lübke
33d35eafda
cleanup of kin.cpp
2021-02-02 18:26:29 +01:00
Max Lübke
049120ae96
documented libraries
2021-02-02 18:04:15 +01:00
Max Lübke
98ee035c38
Documenting SimParams
2021-02-02 14:15:21 +01:00
Max Lübke
a801dc7512
Merge branch 'dev' into doc
2021-02-02 14:00:13 +01:00
Max Lübke
ca5ce5d0db
Documented Parser
2021-02-02 13:43:57 +01:00
Max Lübke
4fca0d2cd2
Substitute struct SimParams through class
2021-02-02 13:42:10 +01:00
Max Lübke
6fa92c68fa
Added dht_signif_digits to simparams
2021-02-02 12:17:35 +01:00
Max Lübke
a748d85cfd
Documented RRuntime
2021-02-01 16:45:13 +01:00
Max Lübke
7f99ca8c59
commenting DHT_Wrapper and change compiler macro
2021-02-01 11:28:26 +01:00
